2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C13H19F3N2O2 — CID 103366662

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1
InChIInChI=1S/C13H19F3N2O2/c1-2-7-3-9-10(4-7)12(20)18(11(9)19)6-8(5-17)13(14,15)16/h7-10H,2-6,17H2,1H3
InChIKeyVZWQSWWJFFBGOP-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103366662) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103366662
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1
InChIInChI=1S/C13H19F3N2O2/c1-2-7-3-9-10(4-7)12(20)18(11(9)19)6-8(5-17)13(14,15)16/h7-10H,2-6,17H2,1H3
InChIKeyVZWQSWWJFFBGOP-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 65893945
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366660
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366661
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanenitrile
CID 103368211
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368212
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanethioamide
CID 103369006
2-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369007
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369008
2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114384557
5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392412
2-(3-amino-2,2-difluoropropyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392934
2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103366662) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CC(CN)C(F)(F)F)C(=O)C2C1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is VZWQSWWJFFBGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-7-3-9-10(4-7)12(20)18(11(9)19)6-8(5-17)13(14,15)16/h7-10H,2-6,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 292.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103366662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).